Related papers: Electronic structure of semiconductor nanoparticle…
The operation of a novel nonvolatile memory device based on a conductive ferroelectric/non-ferroelectric thin film multilayer stack is simulated numerically. The simulation involves the self-consistent steady state solution of Poisson's…
Several methodologies are developed for large-scale atomistic simulations with fully quantum mechanical description of electron systems. The important methodological concepts are (i) generalized Wannier state, (ii) Krylov subspace and (iii)…
Simulations of supersymmetric models on the lattice with (spontaneously) broken supersymmetry suffer from a fermion sign problem related to the vanishing of the Witten index. We propose a novel approach which solves this problem in low…
The electron motion along a chain is described by a continuum version of the Su-Schrieffer-Heeger Hamiltonian in which phonon fields and electronic coordinates are mapped onto the time scale. The path integral formalism allows us to derive…
We propose an experimentally-feasible system based on spin transitions in the fractional quantum Hall effect regime where parafermions, high-order non-abelian excitations, can be potentially realized. We provide a proof-of-concept…
We calculate the exact Kohn-Sham potential that describes, within time-dependent density-functional theory, the propagation of an electron quasiparticle wavepacket of non-zero crystal momentum added to a ground-state model semiconductor.…
We present an efficient post-processing method for calculating the electronic structure of nanosystems based on the divide-and-conquer approach to density functional theory (DC-DFT), in which a system is divided into subsystems whose…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
The quantum coherence of electronic quasiparticles underpins many of the emerging transport properties of conductors at small scales. Novel electronic implementations of quantum optics devices are now available with perspectives such as…
We present a plane wave/pseudopotential implementation of the method to calculate electron transport properties of nanostructures. The conductance is calculated via the Landauer formula within formalism of Green's functions. Nonorthogonal…
Scalable fault-tolerant quantum computer architectures require quantum gates that operate within a small fraction of the qubit decoherence time and with high accuracy over a bandwidth set by the decoherence rate. Electron spin quantum bits…
A two-dimensional dipolar Fermi gas in harmonic trap under rotation is studied by solving "ab initio" Kohn-Sham equations. The physical parameters used match those of ultracold gas of fermionic $^{23}Na^{40}K$ molecules, a prototype system…
Zombie States are a recently introduced formalism to describe coupled coherent Fermionic states which address the Fermionic sign problem in a computationally tractable manner. Previously it has been shown that Zombie States with fractional…
Optical and electronic phenomena in solids arise from the behaviour of electrons and holes (unoccupied states in a filled electron sea). Electron-hole symmetry can often be invoked as a simplifying description, which states that electrons…
It is a long-standing important issue in heavy fermion physics whether $f$-electrons are itinerant or localized when the magnetic order occurs. Here we report the {\it in situ} scanning tunneling microscopy observation of the electronic…
The spin-excitations of a fractional quantum Hall system are evaluated within a bosonization approach. In a first step, we generalize Murthy and Shankar's Hamiltonian theory of the fractional quantum Hall effect to the case of composite…
Excitons in semiconductors and insulators consist of fermionic subsystems, electrons and holes, whose attractive interaction facilitates bound quasiparticles with quasi-bosonic character due to even-numbered pair spins. In the presence of a…
Using principles of asymptotic analysis, we derive the exact leading corrections to the Thomas-Fermi kinetic energy approximation for Kohn-Sham electrons for slabs. This asymptotic expansion approximation includes crucial quantum…
The simulation of strongly correlated fermionic systems remains one of the most significant challenges in computational physics due to the exponential growth of the Hilbert space and the fermionic sign problem. In this work, we present a…
We present a method for performing path integral molecular dynamics (PIMD) simulations for fermions and address its sign problem. PIMD simulations are widely used for studying many-body quantum systems at thermal equilibrium. However, they…